AutoDock CrankPep for peptide and disordered protein docking
☆59Oct 28, 2025Updated 4 months ago
Alternatives and similar repositories for ADCP
Users that are interested in ADCP are comparing it to the libraries listed below
Sorting:
- AutoDock for GPUs and other accelerators☆565Updated this week
- Peptide Virtual Screening Pipeline☆14Jul 3, 2019Updated 6 years ago
- Protein-protein binding affinity benchmark☆16Feb 14, 2025Updated last year
- PCA and normal mode analysis of proteins☆20May 16, 2024Updated last year
- ☆27Feb 8, 2026Updated 3 weeks ago
- Calculation of interatomic interactions in molecular structures☆85Jan 28, 2026Updated last month
- In silico directed evolution of peptide binders with AlphaFold☆261Jan 5, 2026Updated 2 months ago
- Identifying peptide-receptor interactions using AlphaFold-Multimer☆27Sep 12, 2023Updated 2 years ago
- A deep learning model to predict anticancer peptides.☆24Jul 10, 2019Updated 6 years ago
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆16Apr 24, 2024Updated last year
- Tool(s) for cleaning, munging and analysing PDB files for structural bioinformatics analysis.☆14May 29, 2019Updated 6 years ago
- EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity☆14Dec 7, 2021Updated 4 years ago
- gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.☆298Dec 8, 2025Updated 2 months ago
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆64Dec 22, 2025Updated 2 months ago
- ☆27Mar 21, 2025Updated 11 months ago
- ☆13May 19, 2024Updated last year
- Computationally Restoring the Potency of a Clinical Antibody☆19Mar 1, 2024Updated 2 years ago
- ☆13Jul 11, 2017Updated 8 years ago
- Collection of tools to calculate properties of natural or synthetic peptides and proteins.☆58Feb 25, 2026Updated last week
- An OpenMM plugin that implements the Alchemical Transfer Potential☆40Apr 27, 2023Updated 2 years ago
- ☆18Nov 10, 2021Updated 4 years ago
- LIGSIFT: An open-source tool for ligand structural alignment and virtual screening☆15Mar 4, 2018Updated 8 years ago
- This repo contains the collection of codes to find designer interfacial mutations☆17Sep 4, 2023Updated 2 years ago
- ☆21May 15, 2025Updated 9 months ago
- Calculate Böttcher score on small molecules (doi.org/10.1021/acs.jcim.5b00723)☆15Sep 20, 2024Updated last year
- A collection of molecular modelling tools for UCSF Chimera☆17Mar 26, 2019Updated 6 years ago
- A simple Python library to generate model peptides☆97Nov 29, 2020Updated 5 years ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆49Nov 27, 2025Updated 3 months ago
- Masif seed paper repository☆173Sep 22, 2025Updated 5 months ago
- HELM-GPT: de novo macrocyclic peptide design using generative pre-trained transformer☆31Jul 4, 2024Updated last year
- ☆39Apr 30, 2024Updated last year
- ☆22Mar 28, 2024Updated last year
- GaudiMM: A modular optimization platform for molecular design☆32May 10, 2024Updated last year
- Biomolecular Illustration Tool☆124Aug 17, 2024Updated last year
- This pipeline is executing a RE-EDS run for relative free energy calculations. It can be used for example for calculation of hydration fr…☆32Jun 3, 2025Updated 9 months ago
- RxDock is a fork of rDock. Note: the latest code is under development. Please do git checkout patched-rdock after clone if you want patch…☆72Aug 23, 2022Updated 3 years ago
- volume calculation and segmentation☆36May 20, 2024Updated last year
- Scores for Hydrophobicity and Charges based on SASAs☆41Jun 12, 2025Updated 8 months ago
- Computational Chemistry Workflows☆56Jul 19, 2022Updated 3 years ago